Crystallography Open Database

Information card for entry 1560128

Preview

Coordinates	1560128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H18 O S4
Calculated formula	C34 H17.5 O S4
Title of publication	Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators
Authors of publication	Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei
Journal of publication	Materials Horizons
Year of publication	2021
Journal volume	8
Journal issue	4
Pages of publication	1207 - 1215
a	10.5404 ± 0.0004 Å
b	10.8365 ± 0.0004 Å
c	13.1815 ± 0.0007 Å
α	92.262 ± 0.004°
β	108.487 ± 0.004°
γ	97.789 ± 0.003°
Cell volume	1409.28 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
264969 (current)	2021-05-05	cif/ Updating files of 1560127, 1560128 Original log message: Adding full bibliography for 1560127--1560128.cif.	1560128.cif
261099	2021-01-21	cif/ Adding structures of 1560127, 1560128 via cif-deposit CGI script.	1560128.cif